1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C22H22FN3O2S — CID 46016440

IUPAC1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESC=CCNC(=O)N1CCSC12C(=O)N(Cc1ccccc1F)c1ccc(C)cc12
InChIInChI=1S/C22H22FN3O2S/c1-3-10-24-21(28)26-11-12-29-22(26)17-13-15(2)8-9-19(17)25(20(22)27)14-16-6-4-5-7-18(16)23/h3-9,13H,1,10-12,14H2,2H3,(H,24,28)
InChIKeyBVAFOVZCTFLHRW-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.78
Rot. Bonds4

About 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016440) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016440
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESC=CCNC(=O)N1CCSC12C(=O)N(Cc1ccccc1F)c1ccc(C)cc12
InChIInChI=1S/C22H22FN3O2S/c1-3-10-24-21(28)26-11-12-29-22(26)17-13-15(2)8-9-19(17)25(20(22)27)14-16-6-4-5-7-18(16)23/h3-9,13H,1,10-12,14H2,2H3,(H,24,28)
InChIKeyBVAFOVZCTFLHRW-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236
(2R)-1'-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184749
(2R)-3-(cyclopentanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186251
(2S)-1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184746
(2S)-1'-[(2,4-difluorophenyl)methyl]-N-ethyl-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185679
(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185659
1'-[(2,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016705
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187300
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016440) is 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is C=CCNC(=O)N1CCSC12C(=O)N(Cc1ccccc1F)c1ccc(C)cc12.
What is the InChIKey of 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is BVAFOVZCTFLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-3-10-24-21(28)26-11-12-29-22(26)17-13-15(2)8-9-19(17)25(20(22)27)14-16-6-4-5-7-18(16)23/h3-9,13H,1,10-12,14H2,2H3,(H,24,28).
What are the key properties of 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxo-N-prop-2-enylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).